3-Fluorobenzyl chloride
TL;DR: 3-Fluorobenzyl chloride (CAS 456-42-8) is a chemical compound with molecular formula C7H6ClF and molecular weight 144.0142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(chloromethyl)-3-fluorobenzene
Also Known As: 3-Fluorobenzyl chloride, 1-(Chloromethyl)-3-fluorobenzene, M-FLUOROBENZYL CHLORIDE, 3-Fluorobenzylchloride, Benzene, 1-(chloromethyl)-3-fluoro-
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClF |
| Molecular Weight | 144.0142 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.0142 Da |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
| Vapor Pressure | 0.99 [mmHg] |
| SMILES | C1=CC(=CC(=C1)F)CCl |
| InChIKey | XBDXMDVEZLOGMC-UHFFFAOYSA-N |
Product Description
Applications: 3-Fluorobenzyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 3-Fluorobenzyl chloride (CAS 456-42-8) has the molecular formula C7H6ClF and a molecular weight of 144.01 g/mol. Synonyms include 3-Fluorobenzyl chloride and 1-(Chloromethyl)-3-fluorobenzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Fluorobenzyl chloride
Property Insights of 3-Fluorobenzyl chloride
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluorobenzyl chloride. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Fluorobenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorobenzyl chloride has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Fluorobenzyl chloride?
The CAS number of 3-Fluorobenzyl chloride is 456-42-8.
What is the molecular formula of 3-Fluorobenzyl chloride?
The molecular formula of 3-Fluorobenzyl chloride is C7H6ClF.
What is the molecular weight of 3-Fluorobenzyl chloride?
The molecular weight of 3-Fluorobenzyl chloride is 144.0142 g/mol.
What are the applications of 3-Fluorobenzyl chloride?
3-Fluorobenzyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Fluorobenzyl chloride?
You can request a quote for 3-Fluorobenzyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Fluorobenzyl chloride?
Yes, CoreyChem provides custom synthesis services for 3-Fluorobenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.